Chemical Compound

Saxagliptin O-Sulfate

CAS Registry Number 1429782-94-4
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Saxagliptin O-Sulfate chemical structure
Primary Record

Saxagliptin O-Sulfate

In stock
7,121 g
Purity
99.1 %
CAS
1429782-94-4

Compound Identifiers & Properties

CAS
1429782-94-4
PubChem CID
118753512
SMILES
C1[C@@H]2C[C@@H]2N([C@@H]1C#N)C(=O)[C@H](C34CC5CC(C3)CC(C5)(C4)OS(=O)(=O)O)N
Canonical SMILES
N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H](N)C12CC3CC(CC(OS(=O)(=O)O)(C3)C1)C2

Names & Synonyms

  • Saxagliptin O-Sulfate
  • Saxagliptin metabolite M45
  • UNII-56L4K94ELW
  • 56L4K94ELW
  • RefChem:197676
  • CHEMBL3542418
  • 1429782-94-4
  • 2-Azabicyclo(3.1.0)hexane-3-carbonitrile, 2-((2S)-2-amino-2-(3-(sulfooxy)tricyclo(3.3.1.13,7)dec-1-yl)acetyl)-, (1S,3S,5S)-
  • [3-[(1S)-1-amino-2-[(1S,3S,5S)-3-cyano-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-1-adamantyl] hydrogen sulfate
  • (1S,3S,5S)-2-[(2S)-2-Amino-2-[3-(sulfooxy)tricyclo[3.3.1.13,7]dec-1-yl]acetyl]-2-Azabicyclo[3.1.0]hexane-3-carbonitrile